1-[6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-3-pyridinyl]-3-tert-butylurea;6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-1,3,5-triazine-2,4-diamine;2-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propylamino]-4-(trifluoromethyl)pyrimidine-5-carboxamide;tert-butyl N-[6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-3-pyridinyl]carbamate;6-(3-chloro-2-methylphenyl)-4-N-[3-(3-fluorophenyl)sulfonylpropyl]pyrimidine-2,4-diamine;2,2-dimethylpropyl N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]carbamate

C130H148Cl6F4N38O8S — CID 157062412

About 1-[6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-3-pyridinyl]-3-tert-butylurea;6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-1,3,5-triazine-2,4-diamine;2-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propylamino]-4-(trifluoromethyl)pyrimidine-5-carboxamide;tert-butyl N-[6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-3-pyridinyl]carbamate;6-(3-chloro-2-methylphenyl)-4-N-[3-(3-fluorophenyl)sulfonylpropyl]pyrimidine-2,4-diamine;2,2-dimethylpropyl N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]carbamate

1-[6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-3-pyridinyl]-3-tert-butylurea;6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-1,3,5-triazine-2,4-diamine;2-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propylamino]-4-(trifluoromethyl)pyrimidine-5-carboxamide;tert-butyl N-[6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-3-pyridinyl]carbamate;6-(3-chloro-2-methylphenyl)-4-N-[3-(3-fluorophenyl)sulfonylpropyl]pyrimidine-2,4-diamine;2,2-dimethylpropyl N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]carbamate (PubChem CID 157062412) has the molecular formula C130H148Cl6F4N38O8S and a molecular weight of 2691.65 g/mol. Its IUPAC name is 1-[6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-3-pyridinyl]-3-tert-butylurea;6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-1,3,5-triazine-2,4-diamine;2-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propylamino]-4-(trifluoromethyl)pyrimidine-5-carboxamide;tert-butyl N-[6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-3-pyridinyl]carbamate;6-(3-chloro-2-methylphenyl)-4-N-[3-(3-fluorophenyl)sulfonylpropyl]pyrimidine-2,4-diamine;2,2-dimethylpropyl N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]carbamate.

Molecular Properties

• Compound Name: 1-[6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-3-pyridinyl]-3-tert-butylurea;6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-1,3,5-triazine-2,4-diamine;2-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propylamino]-4-(trifluoromethyl)pyrimidine-5-carboxamide;tert-butyl N-[6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-3-pyridinyl]carbamate;6-(3-chloro-2-methylphenyl)-4-N-[3-(3-fluorophenyl)sulfonylpropyl]pyrimidine-2,4-diamine;2,2-dimethylpropyl N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]carbamate
• PubChem CID: 157062412
• Molecular Formula: C130H148Cl6F4N38O8S
• Molecular Weight: 2691.65 g/mol
• Exact Mass: 2687.01
• IUPAC Name: 1-[6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-3-pyridinyl]-3-tert-butylurea;6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-1,3,5-triazine-2,4-diamine;2-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propylamino]-4-(trifluoromethyl)pyrimidine-5-carboxamide;tert-butyl N-[6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-3-pyridinyl]carbamate;6-(3-chloro-2-methylphenyl)-4-N-[3-(3-fluorophenyl)sulfonylpropyl]pyrimidine-2,4-diamine;2,2-dimethylpropyl N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]carbamate
• SMILES: Cc1c(Cl)cccc1-c1cc(CCCNc2ncc(C(N)=O)c(C(F)(F)F)n2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCCS(=O)(=O)c2cccc(F)c2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCCc2ccc(NC(=O)NC(C)(C)C)cn2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCCc2ccc(NC(=O)OC(C)(C)C)cn2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCCc2nc(N)nc(N)n2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCc2cccc(NC(=O)OCC(C)(C)C)c2)nc(N)n1
• InChI: InChI=1S/C25H30ClN5O2.C24H30ClN7O.C24H29ClN6O2.C20H19ClF3N7O.C20H20ClFN4O2S.C17H20ClN9/c1-16-19(9-6-10-20(16)26)21-14-22(31-23(27)30-21)28-12-11-17-7-5-8-18(13-17)29-24(32)33-15-25(2,3)4;1-15-18(8-5-9-19(15)25)20-13-21(31-22(26)30-20)27-12-6-7-16-10-11-17(14-28-16)29-23(33)32-24(2,3)4;1-15-18(8-5-9-19(15)25)20-13-21(31-22(26)30-20)27-12-6-7-16-10-11-17(14-28-16)29-23(32)33-24(2,3)4;1-10-12(5-2-6-14(10)21)15-8-11(29-18(26)30-15)4-3-7-27-19-28-9-13(17(25)32)16(31-19)20(22,23)24;1-13-16(7-3-8-17(13)21)18-12-19(26-20(23)25-18)24-9-4-10-29(27,28)15-6-2-5-14(22)11-15;1-9-10(4-2-5-11(9)18)12-8-14(26-15(19)23-12)22-7-3-6-13-24-16(20)27-17(21)25-13/h5-10,13-14H,11-12,15H2,1-4H3,(H,29,32)(H3,27,28,30,31);5,8-11,13-14H,6-7,12H2,1-4H3,(H2,29,32,33)(H3,26,27,30,31);5,8-11,13-14H,6-7,12H2,1-4H3,(H,29,32)(H3,26,27,30,31);2,5-6,8-9H,3-4,7H2,1H3,(H2,25,32)(H2,26,29,30)(H,27,28,31);2-3,5-8,11-12H,4,9-10H2,1H3,(H3,23,24,25,26);2,4-5,8H,3,6-7H2,1H3,(H3,19,22,23,26)(H4,20,21,24,25,27)
• InChIKey: ABMCSFXKRWMXSR-UHFFFAOYSA-N
• XLogP: 26.28
• TPSA: 720.27 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 41
• Rotatable Bonds: 41
• Heavy Atoms: 187
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2691.65
LogP ≤ 5	26.28
H-Bond Donors ≤ 5	19
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-3-pyridinyl]-3-tert-butylurea;6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-1,3,5-triazine-2,4-diamine;2-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propylamino]-4-(trifluoromethyl)pyrimidine-5-carboxamide;tert-butyl N-[6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-3-pyridinyl]carbamate;6-(3-chloro-2-methylphenyl)-4-N-[3-(3-fluorophenyl)sulfonylpropyl]pyrimidine-2,4-diamine;2,2-dimethylpropyl N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]carbamate?

The IUPAC name of 1-[6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-3-pyridinyl]-3-tert-butylurea;6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-1,3,5-triazine-2,4-diamine;2-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propylamino]-4-(trifluoromethyl)pyrimidine-5-carboxamide;tert-butyl N-[6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-3-pyridinyl]carbamate;6-(3-chloro-2-methylphenyl)-4-N-[3-(3-fluorophenyl)sulfonylpropyl]pyrimidine-2,4-diamine;2,2-dimethylpropyl N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]carbamate (CID 157062412) is 1-[6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-3-pyridinyl]-3-tert-butylurea;6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-1,3,5-triazine-2,4-diamine;2-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propylamino]-4-(trifluoromethyl)pyrimidine-5-carboxamide;tert-butyl N-[6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-3-pyridinyl]carbamate;6-(3-chloro-2-methylphenyl)-4-N-[3-(3-fluorophenyl)sulfonylpropyl]pyrimidine-2,4-diamine;2,2-dimethylpropyl N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]carbamate.

What is the SMILES notation for 1-[6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-3-pyridinyl]-3-tert-butylurea;6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-1,3,5-triazine-2,4-diamine;2-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propylamino]-4-(trifluoromethyl)pyrimidine-5-carboxamide;tert-butyl N-[6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-3-pyridinyl]carbamate;6-(3-chloro-2-methylphenyl)-4-N-[3-(3-fluorophenyl)sulfonylpropyl]pyrimidine-2,4-diamine;2,2-dimethylpropyl N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]carbamate?

The canonical SMILES for 1-[6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-3-pyridinyl]-3-tert-butylurea;6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-1,3,5-triazine-2,4-diamine;2-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propylamino]-4-(trifluoromethyl)pyrimidine-5-carboxamide;tert-butyl N-[6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-3-pyridinyl]carbamate;6-(3-chloro-2-methylphenyl)-4-N-[3-(3-fluorophenyl)sulfonylpropyl]pyrimidine-2,4-diamine;2,2-dimethylpropyl N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]carbamate is Cc1c(Cl)cccc1-c1cc(CCCNc2ncc(C(N)=O)c(C(F)(F)F)n2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCCS(=O)(=O)c2cccc(F)c2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCCc2ccc(NC(=O)NC(C)(C)C)cn2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCCc2ccc(NC(=O)OC(C)(C)C)cn2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCCc2nc(N)nc(N)n2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCc2cccc(NC(=O)OCC(C)(C)C)c2)nc(N)n1.

What is the InChIKey of 1-[6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-3-pyridinyl]-3-tert-butylurea;6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-1,3,5-triazine-2,4-diamine;2-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propylamino]-4-(trifluoromethyl)pyrimidine-5-carboxamide;tert-butyl N-[6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-3-pyridinyl]carbamate;6-(3-chloro-2-methylphenyl)-4-N-[3-(3-fluorophenyl)sulfonylpropyl]pyrimidine-2,4-diamine;2,2-dimethylpropyl N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]carbamate?

The InChIKey is ABMCSFXKRWMXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN5O2.C24H30ClN7O.C24H29ClN6O2.C20H19ClF3N7O.C20H20ClFN4O2S.C17H20ClN9/c1-16-19(9-6-10-20(16)26)21-14-22(31-23(27)30-21)28-12-11-17-7-5-8-18(13-17)29-24(32)33-15-25(2,3)4;1-15-18(8-5-9-19(15)25)20-13-21(31-22(26)30-20)27-12-6-7-16-10-11-17(14-28-16)29-23(33)32-24(2,3)4;1-15-18(8-5-9-19(15)25)20-13-21(31-22(26)30-20)27-12-6-7-16-10-11-17(14-28-16)29-23(32)33-24(2,3)4;1-10-12(5-2-6-14(10)21)15-8-11(29-18(26)30-15)4-3-7-27-19-28-9-13(17(25)32)16(31-19)20(22,23)24;1-13-16(7-3-8-17(13)21)18-12-19(26-20(23)25-18)24-9-4-10-29(27,28)15-6-2-5-14(22)11-15;1-9-10(4-2-5-11(9)18)12-8-14(26-15(19)23-12)22-7-3-6-13-24-16(20)27-17(21)25-13/h5-10,13-14H,11-12,15H2,1-4H3,(H,29,32)(H3,27,28,30,31);5,8-11,13-14H,6-7,12H2,1-4H3,(H2,29,32,33)(H3,26,27,30,31);5,8-11,13-14H,6-7,12H2,1-4H3,(H,29,32)(H3,26,27,30,31);2,5-6,8-9H,3-4,7H2,1H3,(H2,25,32)(H2,26,29,30)(H,27,28,31);2-3,5-8,11-12H,4,9-10H2,1H3,(H3,23,24,25,26);2,4-5,8H,3,6-7H2,1H3,(H3,19,22,23,26)(H4,20,21,24,25,27).

What are the key properties of 1-[6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-3-pyridinyl]-3-tert-butylurea;6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-1,3,5-triazine-2,4-diamine;2-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propylamino]-4-(trifluoromethyl)pyrimidine-5-carboxamide;tert-butyl N-[6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-3-pyridinyl]carbamate;6-(3-chloro-2-methylphenyl)-4-N-[3-(3-fluorophenyl)sulfonylpropyl]pyrimidine-2,4-diamine;2,2-dimethylpropyl N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]carbamate?

1-[6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-3-pyridinyl]-3-tert-butylurea;6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-1,3,5-triazine-2,4-diamine;2-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propylamino]-4-(trifluoromethyl)pyrimidine-5-carboxamide;tert-butyl N-[6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-3-pyridinyl]carbamate;6-(3-chloro-2-methylphenyl)-4-N-[3-(3-fluorophenyl)sulfonylpropyl]pyrimidine-2,4-diamine;2,2-dimethylpropyl N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]carbamate has a molecular weight of 2691.65 g/mol, XLogP of 26.28, 41 rotatable bonds, 19 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-3-pyridinyl]-3-tert-butylurea;6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-1,3,5-triazine-2,4-diamine;2-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propylamino]-4-(trifluoromethyl)pyrimidine-5-carboxamide;tert-butyl N-[6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-3-pyridinyl]carbamate;6-(3-chloro-2-methylphenyl)-4-N-[3-(3-fluorophenyl)sulfonylpropyl]pyrimidine-2,4-diamine;2,2-dimethylpropyl N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]carbamate is sourced from PubChem (CID 157062412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).